N-[1-(diethylaminomethyl)cyclopropyl]-2-fluoro-3-methylbenzamide

C16H23FN2O — CID 122562854

IUPACN-[1-(diethylaminomethyl)cyclopropyl]-2-fluoro-3-methylbenzamide
SMILESCCN(CC)CC1(NC(=O)c2cccc(C)c2F)CC1
InChIInChI=1S/C16H23FN2O/c1-4-19(5-2)11-16(9-10-16)18-15(20)13-8-6-7-12(3)14(13)17/h6-8H,4-5,9-11H2,1-3H3,(H,18,20)
InChIKeyAYAUZPPUUJDFQU-UHFFFAOYSA-N
MW278.37 g/mol
LogP2.74
Rot. Bonds6

About N-[1-(diethylaminomethyl)cyclopropyl]-2-fluoro-3-methylbenzamide

N-[1-(diethylaminomethyl)cyclopropyl]-2-fluoro-3-methylbenzamide (PubChem CID 122562854) has the molecular formula C16H23FN2O and a molecular weight of 278.37 g/mol. Its IUPAC name is N-[1-(diethylaminomethyl)cyclopropyl]-2-fluoro-3-methylbenzamide.

Molecular Properties

Compound NameN-[1-(diethylaminomethyl)cyclopropyl]-2-fluoro-3-methylbenzamide
PubChem CID122562854
Molecular FormulaC16H23FN2O
Molecular Weight278.37 g/mol
Exact Mass278.18
IUPAC NameN-[1-(diethylaminomethyl)cyclopropyl]-2-fluoro-3-methylbenzamide
SMILESCCN(CC)CC1(NC(=O)c2cccc(C)c2F)CC1
InChIInChI=1S/C16H23FN2O/c1-4-19(5-2)11-16(9-10-16)18-15(20)13-8-6-7-12(3)14(13)17/h6-8H,4-5,9-11H2,1-3H3,(H,18,20)
InChIKeyAYAUZPPUUJDFQU-UHFFFAOYSA-N
XLogP2.74
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[(2-fluoro-3-methylbenzoyl)amino]cyclobutyl]acetic acid
CID 81480559
2-fluoro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3-methylbenzamide
CID 81479815
2-fluoro-3-methyl-N-[(1-methylcyclopropyl)methyl]benzamide
CID 103765513
2-fluoro-3-methyl-N-[(1-propylcyclopropyl)methyl]benzamide
CID 113257623
N-[1-(diethylaminomethyl)cyclopropyl]-5-methyl-2H-triazole-4-carboxamide
CID 122556202
2-fluoro-N-[(1-hydroxycyclopentyl)methyl]-3-methylbenzamide
CID 80711895
N,N-diethyl-2-fluoro-3-methylbenzamide
CID 80718588
2-fluoro-3-methyl-N-(2,2,3,3-tetramethylcyclopropyl)benzamide
CID 80711420
N-(2,2-dimethylbutyl)-2-fluoro-3-methylbenzamide
CID 103461119
1-[[(2-fluoro-3-methylbenzoyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 115445182
2-(2-chloro-4-fluorophenyl)-N-[1-(diethylaminomethyl)cyclopropyl]acetamide
CID 122570747
N-decyl-2-fluoro-3-methylbenzamide
CID 81479719

Frequently Asked Questions

What is the IUPAC name of N-[1-(diethylaminomethyl)cyclopropyl]-2-fluoro-3-methylbenzamide?
The IUPAC name of N-[1-(diethylaminomethyl)cyclopropyl]-2-fluoro-3-methylbenzamide (CID 122562854) is N-[1-(diethylaminomethyl)cyclopropyl]-2-fluoro-3-methylbenzamide.
What is the SMILES notation for N-[1-(diethylaminomethyl)cyclopropyl]-2-fluoro-3-methylbenzamide?
The canonical SMILES for N-[1-(diethylaminomethyl)cyclopropyl]-2-fluoro-3-methylbenzamide is CCN(CC)CC1(NC(=O)c2cccc(C)c2F)CC1.
What is the InChIKey of N-[1-(diethylaminomethyl)cyclopropyl]-2-fluoro-3-methylbenzamide?
The InChIKey is AYAUZPPUUJDFQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O/c1-4-19(5-2)11-16(9-10-16)18-15(20)13-8-6-7-12(3)14(13)17/h6-8H,4-5,9-11H2,1-3H3,(H,18,20).
What are the key properties of N-[1-(diethylaminomethyl)cyclopropyl]-2-fluoro-3-methylbenzamide?
N-[1-(diethylaminomethyl)cyclopropyl]-2-fluoro-3-methylbenzamide has a molecular weight of 278.37 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(diethylaminomethyl)cyclopropyl]-2-fluoro-3-methylbenzamide is sourced from PubChem (CID 122562854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).